4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide

C23H19ClF3NO3S — CID 2728267

IUPAC4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)c2c1CCC2
InChIInChI=1S/C23H19ClF3NO3S/c1-14-5-11-21(19-4-2-3-18(14)19)31-22-12-6-15(23(25,26)27)13-20(22)28-32(29,30)17-9-7-16(24)8-10-17/h5-13,28H,2-4H2,1H3
InChIKeyXOWBPOHWOMDDAK-UHFFFAOYSA-N
MW481.92 g/mol
LogP6.75
Rot. Bonds5

About 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2728267) has the molecular formula C23H19ClF3NO3S and a molecular weight of 481.92 g/mol. Its IUPAC name is 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2728267
Molecular FormulaC23H19ClF3NO3S
Molecular Weight481.92 g/mol
Exact Mass481.07
IUPAC Name4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)c2c1CCC2
InChIInChI=1S/C23H19ClF3NO3S/c1-14-5-11-21(19-4-2-3-18(14)19)31-22-12-6-15(23(25,26)27)13-20(22)28-32(29,30)17-9-7-16(24)8-10-17/h5-13,28H,2-4H2,1H3
InChIKeyXOWBPOHWOMDDAK-UHFFFAOYSA-N
XLogP6.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.92
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2728267) is 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)c2c1CCC2.
What is the InChIKey of 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XOWBPOHWOMDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3NO3S/c1-14-5-11-21(19-4-2-3-18(14)19)31-22-12-6-15(23(25,26)27)13-20(22)28-32(29,30)17-9-7-16(24)8-10-17/h5-13,28H,2-4H2,1H3.
What are the key properties of 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 481.92 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2728267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).